Geometry & MOs

Info

ID:

92122

PubChem CID:

49983157

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

700.338461

ΔHf, kcal/mol:

-226.17

Dipole, Da:

7.88

IP(EA), eV:

 -9.15(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[3-[(3-fluorobenzoyl)amino]-4-methoxyanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C)Cl

DOS

IR

Vibrations